Molecule

ID:21347

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NO₃
Molecular Mass
271.31108
Exact Mass
271.12084341
Charge
0
InChI
InChI=1S/C16H17NO3/c1-19-16(18)14-9-12(10-17-14)20-15-8-4-6-11-5-2-3-7-13(11)15/h2-8,12,14,17H,9-10H2,1H3/t12?,14-/m0/s1
InChIKey
VIGOCDAQVFXZIR-PYMCNQPYSA-N
Canonic Smiles
COC(=O)[C@H]1NCC(C1)Oc1cccc2c1cccc2
Isomeric Smiles
N1[C@H](C(=O)OC)CC(Oc2c3c(ccc2)cccc3)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.167661
LogD (pH = 7.4)
2.1709356
Log P
2.2246835
Molar Refractivity
74.8614
Polarizability
31.132322
Polar Surface Area
47.56
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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